methyl 2-[(E)-3-(4-methylphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[(E)-3-(4-methylphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[(E)-3-(p-tolyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-3-(4-methylphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[(E)-3-(p-tolyl)acryloyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N2CCC3=C(C2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)N2CCC3=C(C2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21NO3/c1-15-3-5-16(6-4-15)7-10-20(23)22-12-11-17-8-9-18(21(24)25-2)13-19(17)14-22/h3-10,13H,11-12,14H2,1-2H3/b10-7+